diff test-data/generic.msp @ 0:9e6bf7278257 draft

"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
author computational-metabolomics
date Wed, 05 Feb 2020 10:41:48 -0500
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/generic.msp	Wed Feb 05 10:41:48 2020 -0500
@@ -0,0 +1,123 @@
+NAME:  MZ:70.0659 | RT:1483 | XCMS_group:1 | file:1 | scan:NA | pid:NA
+PRECURSORMZ: 70.0658950805664
+Comment:
+Num Peaks: 8
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+51.0193099975586	3390.96948242188	4.49
+53.0031509399414	10011.958984375	13.25
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+82.9910659790039	4077.36694335938	5.39
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+NAME:  MZ:72.0815 | RT:1823 | XCMS_group:2 | file:1 | scan:NA
+PRECURSORMZ: 72.0815277099609
+COMMENT:
+Num Peaks: 6
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+NAME:  MZ:72.0815 | RT:1857 | scan:NA
+PRECURSORMZ: 72.08154296875
+COMMENT:
+Num Peaks: 4
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+NAME:  MZ:76.0400 | RT:1606 | XCMS_group:5 | file:1 | scan:NA
+PRECURSORMZ: 76.0400390625
+COMMENT:
+Num Peaks: 4
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+NAME:  MZ:79.0219 | RT:177 | XCMS_group:9 | file:1 | scan:NA
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+NAME:  MZ:79.0219 | RT:184 | XCMS_group:9 | file:1 | scan:NA
+PRECURSORMZ: 79.0218811035156
+COMMENT:
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+NAME:  MZ:79.0219 | RT:212 | XCMS_group:9 | file:1 | scan:NA
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+NAME:  MZ:79.9904 | RT:1284 | XCMS_group:11 | file:1 | scan:NA
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+NAME:  MZ:86.0607 | RT:1497 | XCMS_group:19 | file:1 | scan:NA
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+NAME:  MZ:86.0606 | RT:1498 | XCMS_group:19 | file:1 | scan:NA
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+NAME:  MZ:86.0607 | RT:1500 | XCMS_group:19 | file:1 | scan:NA
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